ethyl 3-(6-ethoxy-2-thiophen-2-ylcarbonylimino-1,3-benzothiazol-3-yl)propanoate

Systemtic Name: ethyl 3-(6-ethoxy-2-thiophen-2-ylcarbonylimino-1,3-benzothiazol-3-yl)propanoate Openeye Name: ethyl 3-[6-ethoxy-2-(thiophene-2-carbonylimino)-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-ethoxy-2-[oxo(thiophen-2-yl)methyl]imino-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[6-ethoxy-2-(thiophene-2-carbonylimino)-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-ethoxy-2-(2-thenoylimino)-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C19H20N2O4S2 MolecularWeight: 404.5031

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CS3)S2)CCC(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CS3)S2)CCC(=O)OCC

InChI

InChI=1S/C19H20N2O4S2/c1-3-24-13-7-8-14-16(12-13)27-19(20-18(23)15-6-5-11-26-15)21(14)10-9-17(22)25-4-2/h5-8,11-12H,3-4,9-10H2,1-2H3